4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

C14H27ClN4 — CID 115346698

IUPAC4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C14H27ClN4/c1-6-8-16-12(7-9-18(3)4)10-13-14(15)11(2)17-19(13)5/h12,16H,6-10H2,1-5H3
InChIKeyKMAZYBAOURRYBM-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.24
Rot. Bonds8

About 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 115346698) has the molecular formula C14H27ClN4 and a molecular weight of 286.85 g/mol. Its IUPAC name is 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
PubChem CID115346698
Molecular FormulaC14H27ClN4
Molecular Weight286.85 g/mol
Exact Mass286.19
IUPAC Name4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C14H27ClN4/c1-6-8-16-12(7-9-18(3)4)10-13-14(15)11(2)17-19(13)5/h12,16H,6-10H2,1-5H3
InChIKeyKMAZYBAOURRYBM-UHFFFAOYSA-N
XLogP2.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine with MolForge

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Related Compounds

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine
CID 104996645
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-N-propylhexan-2-amine
CID 104996853
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105158775
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-propoxybutan-2-amine
CID 105158790
4-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346379
N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104996890
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959281
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 104996518
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-propoxy-N-propylbutan-2-amine
CID 105159851
N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105158823
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-3-propylhexan-2-amine
CID 104996529
[5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-yl]hydrazine
CID 105235793

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (CID 115346698) is 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is CCCNC(CCN(C)C)Cc1c(Cl)c(C)nn1C.
What is the InChIKey of 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is KMAZYBAOURRYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN4/c1-6-8-16-12(7-9-18(3)4)10-13-14(15)11(2)17-19(13)5/h12,16H,6-10H2,1-5H3.
What are the key properties of 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 286.85 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 115346698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).